chempirical

7-(4-Chlorobutoxy)-3,4-dihydro-2(1H)-quinolinone

C13H16ClNO2CAS 120004-79-7253.73 g/mol

Open in Covalent MOL file
OHNOCl
Alkyl halideEther

Properties

Molecular formula
C13H16ClNO2
Molar mass
253.73 g/mol
Exact mass
253.0870 Da
Melting point
100–102 °C
logP
3.62Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
120004-79-7
SMILES
OC1=Nc2cc(OCCCCCl)ccc2CC1
InChIKey
SRMLSNBGMDJSJH-UHFFFAOYSA-N
InChI
InChI=1S/C13H16ClNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3,5,9H,1-2,4,6-8H2,(H,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 2(1H)-Quinolinone, 7-(4-chlorobutoxy)-3,4-dihydro-
  • 7-(4-Chlorobutoxy)-3,4-dihydrocarbostyril
  • 7-(4-Chlorobutoxy)-3,4-dihydro-C2(1 H)-quinoline
  • 3,4-Dihydro-7-(4-chlorobutoxy)-2(1H)-quinolinone

Work with 7-(4-Chlorobutoxy)-3,4-dihydro-2(1H)-quinolinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone129722-34-575 % similar Aripiprazole129722-12-958 % similar 7-Hydroxy-3,4-dihydro-2(1H)-quinolinone22246-18-050 % similar 1-(3-Chloropropoxy)-4-fluorobenzene1716-42-340 % similar 6-Chlorooxindole56341-37-835 % similar 5-(2-Chloroethyl)-6-chlorooxindole118289-55-735 % similar Bufexamac2438-72-433 % similar 3,4-Dihydro-5-hydroxy-2(1H)-quinolinone30389-33-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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